2-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-methylpyridine-4-carboxamide

C19H23N3O — CID 126423906

IUPAC2-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-methylpyridine-4-carboxamide
SMILESCNC(=O)c1ccnc(N2C[C@@H](c3ccccc3)C(C)(C)C2)c1
InChIInChI=1S/C19H23N3O/c1-19(2)13-22(12-16(19)14-7-5-4-6-8-14)17-11-15(9-10-21-17)18(23)20-3/h4-11,16H,12-13H2,1-3H3,(H,20,23)/t16-/m0/s1
InChIKeyMWJCUDJODHXUGN-INIZCTEOSA-N
MW309.41 g/mol
LogP3.07
Rot. Bonds3

About 2-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-methylpyridine-4-carboxamide

2-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-methylpyridine-4-carboxamide (PubChem CID 126423906) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-methylpyridine-4-carboxamide
PubChem CID126423906
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-methylpyridine-4-carboxamide
SMILESCNC(=O)c1ccnc(N2C[C@@H](c3ccccc3)C(C)(C)C2)c1
InChIInChI=1S/C19H23N3O/c1-19(2)13-22(12-16(19)14-7-5-4-6-8-14)17-11-15(9-10-21-17)18(23)20-3/h4-11,16H,12-13H2,1-3H3,(H,20,23)/t16-/m0/s1
InChIKeyMWJCUDJODHXUGN-INIZCTEOSA-N
XLogP3.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-methylpyridine-4-carboxamide
CID 126423907
2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-ethylpyridine-4-carboxamide
CID 126448160
6-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]pyrazine-2-carboxylic acid
CID 126451229
2-(3-phenylpiperazin-1-yl)-N-propylpyridine-4-carboxamide
CID 53180668
N-benzyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109169442
N-[(4-ethylphenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105385
(3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[4-(methylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 165420544
N-[(4-methylphenyl)methyl]-2-(4-phenylpiperazin-1-yl)pyridine-4-carboxamide
CID 109169913
2-[(3R)-3-phenylpiperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 95104929
N-[3-(dimethylamino)propyl]-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104989
2-(4-methylpiperazin-1-yl)-N-(1-phenylcyclopropyl)pyridine-4-carboxamide
CID 56788391
N-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 110107606

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-methylpyridine-4-carboxamide (CID 126423906) is 2-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-methylpyridine-4-carboxamide is CNC(=O)c1ccnc(N2C[C@@H](c3ccccc3)C(C)(C)C2)c1.
What is the InChIKey of 2-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-methylpyridine-4-carboxamide?
The InChIKey is MWJCUDJODHXUGN-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N3O/c1-19(2)13-22(12-16(19)14-7-5-4-6-8-14)17-11-15(9-10-21-17)18(23)20-3/h4-11,16H,12-13H2,1-3H3,(H,20,23)/t16-/m0/s1.
What are the key properties of 2-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-methylpyridine-4-carboxamide?
2-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-methylpyridine-4-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 126423906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).